N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-1-(2-morpholin-4-ylethyl)triazole-4-carboxamide

C19H27N7O2 — CID 56855023

IUPACN-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-1-(2-morpholin-4-ylethyl)triazole-4-carboxamide
SMILESCc1nc(CNC(=O)c2cn(CCN3CCOCC3)nn2)nc2c1CCCC2
InChIInChI=1S/C19H27N7O2/c1-14-15-4-2-3-5-16(15)22-18(21-14)12-20-19(27)17-13-26(24-23-17)7-6-25-8-10-28-11-9-25/h13H,2-12H2,1H3,(H,20,27)
InChIKeyRVTLKVXNFSABQG-UHFFFAOYSA-N
MW385.47 g/mol
LogP0.52
Rot. Bonds6

About N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-1-(2-morpholin-4-ylethyl)triazole-4-carboxamide

N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-1-(2-morpholin-4-ylethyl)triazole-4-carboxamide (PubChem CID 56855023) has the molecular formula C19H27N7O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-1-(2-morpholin-4-ylethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-1-(2-morpholin-4-ylethyl)triazole-4-carboxamide
PubChem CID56855023
Molecular FormulaC19H27N7O2
Molecular Weight385.47 g/mol
Exact Mass385.22
IUPAC NameN-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-1-(2-morpholin-4-ylethyl)triazole-4-carboxamide
SMILESCc1nc(CNC(=O)c2cn(CCN3CCOCC3)nn2)nc2c1CCCC2
InChIInChI=1S/C19H27N7O2/c1-14-15-4-2-3-5-16(15)22-18(21-14)12-20-19(27)17-13-26(24-23-17)7-6-25-8-10-28-11-9-25/h13H,2-12H2,1H3,(H,20,27)
InChIKeyRVTLKVXNFSABQG-UHFFFAOYSA-N
XLogP0.52
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-1-(2-morpholin-4-ylethyl)triazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(2-morpholin-4-ylethyl)triazole-4-carboxamide
CID 28737024
1-(2-morpholin-4-ylethyl)triazole-4-carboxylic acid
CID 29082618
N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-1H-indole-3-carboxamide
CID 56739994
[6-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 134707137
1-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)triazole-4-carboxamide
CID 6986537
1-(2-morpholin-4-ylethyl)-N-[(4-phenyloxan-4-yl)methyl]triazole-4-carboxamide
CID 74229926
4-methyl-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 72901309
1-(2-morpholin-4-ylethyl)-N-(6-oxaspiro[2.5]octan-2-yl)triazole-4-carboxamide
CID 167985130
N-[(4-morpholin-4-ylphenyl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide
CID 42101548
N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-1-methyltriazole-4-carboxamide
CID 121137782
1-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]triazole-4-carbohydrazide
CID 55214791
N-[(3-methyl-1-benzofuran-2-yl)methyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide
CID 70768806

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-1-(2-morpholin-4-ylethyl)triazole-4-carboxamide?
The IUPAC name of N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-1-(2-morpholin-4-ylethyl)triazole-4-carboxamide (CID 56855023) is N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-1-(2-morpholin-4-ylethyl)triazole-4-carboxamide.
What is the SMILES notation for N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-1-(2-morpholin-4-ylethyl)triazole-4-carboxamide?
The canonical SMILES for N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-1-(2-morpholin-4-ylethyl)triazole-4-carboxamide is Cc1nc(CNC(=O)c2cn(CCN3CCOCC3)nn2)nc2c1CCCC2.
What is the InChIKey of N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-1-(2-morpholin-4-ylethyl)triazole-4-carboxamide?
The InChIKey is RVTLKVXNFSABQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7O2/c1-14-15-4-2-3-5-16(15)22-18(21-14)12-20-19(27)17-13-26(24-23-17)7-6-25-8-10-28-11-9-25/h13H,2-12H2,1H3,(H,20,27).
What are the key properties of N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-1-(2-morpholin-4-ylethyl)triazole-4-carboxamide?
N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-1-(2-morpholin-4-ylethyl)triazole-4-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 0.52, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-1-(2-morpholin-4-ylethyl)triazole-4-carboxamide is sourced from PubChem (CID 56855023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).